NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
458320 |
2krc   |
cing | 1-original | 6 | XPLOR/CNS | dipolar coupling |
! 268 RDCs (including 77 passive data) !% bad data (untested): !assign (resid 3 and name N ) ! (resid 3 and name HN ) 15.813 0.600 1.000 0 assign (resid 7 and name N ) (resid 7 and name HN ) -21.105 1.200 1.000 0 assign (resid 8 and name N ) (resid 8 and name HN ) -4.379 0.600 1.000 0 assign (resid 9 and name N ) (resid 9 and name HN ) -5.474 0.600 1.000 0 assign (resid 10 and name N ) (resid 10 and name HN ) -21.410 1.200 1.000 0 assign (resid 12 and name N ) (resid 12 and name HN ) 7.541 0.600 1.000 0 assign (resid 13 and name N ) (resid 13 and name HN ) -8.697 1.200 1.000 0 assign (resid 15 and name N ) (resid 15 and name HN ) -12.955 0.600 1.000 0 assign (resid 16 and name N ) (resid 16 and name HN ) -6.751 0.600 1.000 0 assign (resid 17 and name N ) (resid 17 and name HN ) -15.570 1.200 1.000 0 assign (resid 18 and name N ) (resid 18 and name HN ) 21.469 0.600 1.000 0 assign (resid 19 and name N ) (resid 19 and name HN ) -4.866 1.200 1.000 0 assign (resid 20 and name N ) (resid 20 and name HN ) -12.407 2.000 1.000 0 assign (resid 21 and name N ) (resid 21 and name HN ) -0.304 1.200 1.000 0 assign (resid 22 and name N ) (resid 22 and name HN ) 9.306 2.000 1.000 0 assign (resid 24 and name N ) (resid 24 and name HN ) -15.691 2.000 1.000 0 assign (resid 25 and name N ) (resid 25 and name HN ) 5.580 1.200 1.000 0 !% bad data (untested): !assign (resid 26 and name N ) ! (resid 26 and name HN ) 0.426 1.200 1.000 0 assign (resid 27 and name N ) (resid 27 and name HN ) -17.577 1.200 1.000 0 assign (resid 29 and name N ) (resid 29 and name HN ) 30.106 1.200 1.000 0 assign (resid 31 and name N ) (resid 31 and name HN ) -28.950 1.200 1.000 0 assign (resid 33 and name N ) (resid 33 and name HN ) 23.720 1.200 1.000 0 assign (resid 34 and name N ) (resid 34 and name HN ) 22.442 0.600 1.000 0 assign (resid 35 and name N ) (resid 35 and name HN ) 32.357 1.200 1.000 0 !% bad data (untested): !assign (resid 36 and name N ) ! (resid 36 and name HN ) 19.888 2.000 1.000 0 assign (resid 37 and name N ) (resid 37 and name HN ) 20.679 2.000 1.000 0 assign (resid 39 and name N ) (resid 39 and name HN ) 31.383 1.200 1.000 0 assign (resid 42 and name N ) (resid 42 and name HN ) 34.971 1.200 1.000 0 assign (resid 43 and name N ) (resid 43 and name HN ) 25.605 1.200 1.000 0 !% bad data (untested): !assign (resid 45 and name N ) ! (resid 45 and name HN ) 25.970 1.200 1.000 0 assign (resid 46 and name N ) (resid 46 and name HN ) 30.593 2.000 1.000 0 assign (resid 48 and name N ) (resid 48 and name HN ) -19.584 1.200 1.000 0 assign (resid 49 and name N ) (resid 49 and name HN ) -22.868 1.200 1.000 0 assign (resid 50 and name N ) (resid 50 and name HN ) -17.881 1.200 1.000 0 !assign (resid 51 and name N ) ! (resid 51 and name HN ) -11.374 1.200 1.000 0 assign (resid 52 and name N ) (resid 52 and name HN ) -13.623 1.200 1.000 0 assign (resid 53 and name N ) (resid 53 and name HN ) 23.416 1.200 1.000 0 assign (resid 54 and name N ) (resid 54 and name HN ) 1.885 1.200 1.000 0 assign (resid 59 and name N ) (resid 59 and name HN ) 13.989 2.000 1.000 0 assign (resid 61 and name N ) (resid 61 and name HN ) 19.037 1.200 1.000 0 !% bad data (untested): !assign (resid 65 and name N ) ! (resid 65 and name HN ) -10.948 1.200 1.000 0 !% bad data (untested): !assign (resid 67 and name N ) ! (resid 67 and name HN ) 26.944 0.600 1.000 0 assign (resid 70 and name N ) (resid 70 and name HN ) -19.280 1.200 1.000 0 assign (resid 71 and name N ) (resid 71 and name HN ) 24.632 1.200 1.000 0 !assign (resid 72 and name N ) ! (resid 72 and name HN ) 9.609 0.600 1.000 0 assign (resid 74 and name N ) (resid 74 and name HN ) 0.430 1.200 1.000 0 assign (resid 75 and name N ) (resid 75 and name HN ) 32.782 1.200 1.000 0 assign (resid 77 and name N ) (resid 77 and name HN ) -14.961 1.200 1.000 0 assign (resid 78 and name N ) (resid 78 and name HN ) -21.774 1.200 1.000 0 !% bad data (untested): !assign (resid 80 and name N ) ! (resid 80 and name HN ) 35.032 1.200 1.000 0 !% bad data (untested): !assign (resid 81 and name N ) ! (resid 81 and name HN ) 11.799 1.200 1.000 0 !% bad data (untested): !assign (resid 85 and name N ) ! (resid 85 and name HN ) 1.763 2.000 1.000 0 !% bad data (untested): !assign (resid 87 and name N ) ! (resid 87 and name HN ) -1.460 0.600 1.000 0 !% bad data (untested): !assign (resid 88 and name N ) ! (resid 88 and name HN ) -1.338 1.200 1.000 0 !assign (resid 89 and name N ) ! (resid 89 and name HN ) 0.122 0.600 1.000 0 !% bad data (untested): !assign (resid 91 and name N ) ! (resid 91 and name HN ) -0.973 1.200 1.000 0 !% bad data (untested): !assign (resid 92 and name N ) ! (resid 92 and name HN ) 0.609 0.600 1.000 0 !assign (resid 93 and name N ) ! (resid 93 and name HN ) 0.364 0.600 1.000 0 !% bad data (untested): !assign (resid 3 and name N ) ! (resid 2 and name C ) -8.977 1.655 1.000 0 assign (resid 6 and name N ) (resid 5 and name C ) -11.459 1.655 1.000 0 !% bad data (untested): !assign (resid 7 and name N ) ! (resid 6 and name C ) 18.855 1.655 1.000 0 assign (resid 8 and name N ) (resid 7 and name C ) 0.132 1.655 1.000 0 assign (resid 9 and name N ) (resid 8 and name C ) 10.606 1.655 1.000 0 assign (resid 10 and name N ) (resid 9 and name C ) 7.909 1.655 1.000 0 assign (resid 12 and name N ) (resid 11 and name C ) 28.766 1.655 1.000 0 assign (resid 13 and name N ) (resid 12 and name C ) -11.119 1.655 1.000 0 !% bad data (untested): !assign (resid 15 and name N ) ! (resid 14 and name C ) 8.339 1.655 1.000 0 assign (resid 16 and name N ) (resid 15 and name C ) -12.915 1.655 1.000 0 assign (resid 17 and name N ) (resid 16 and name C ) -9.547 1.655 1.000 0 assign (resid 18 and name N ) (resid 17 and name C ) 16.828 1.655 1.000 0 assign (resid 20 and name N ) (resid 19 and name C ) 2.424 1.655 1.000 0 assign (resid 21 and name N ) (resid 20 and name C ) -21.759 1.655 1.000 0 assign (resid 24 and name N ) (resid 23 and name C ) 1.688 1.655 1.000 0 assign (resid 25 and name N ) (resid 24 and name C ) -1.026 1.655 1.000 0 assign (resid 26 and name N ) (resid 25 and name C ) 14.379 1.655 1.000 0 assign (resid 28 and name N ) (resid 27 and name C ) -12.162 1.655 1.000 0 assign (resid 29 and name N ) (resid 28 and name C ) -6.279 1.655 1.000 0 assign (resid 31 and name N ) (resid 30 and name C ) 2.714 1.655 1.000 0 assign (resid 33 and name N ) (resid 32 and name C ) -17.225 1.655 1.000 0 assign (resid 34 and name N ) (resid 33 and name C ) -19.500 1.655 1.000 0 assign (resid 35 and name N ) (resid 34 and name C ) 6.412 1.655 1.000 0 assign (resid 36 and name N ) (resid 35 and name C ) -6.329 1.655 1.000 0 assign (resid 39 and name N ) (resid 38 and name C ) 7.694 1.655 1.000 0 assign (resid 42 and name N ) (resid 41 and name C ) -6.453 1.655 1.000 0 assign (resid 43 and name N ) (resid 42 and name C ) -3.822 1.655 1.000 0 assign (resid 45 and name N ) (resid 44 and name C ) -23.902 1.655 1.000 0 !% bad data (untested): !assign (resid 48 and name N ) ! (resid 47 and name C ) 21.006 1.655 1.000 0 assign (resid 49 and name N ) (resid 48 and name C ) -2.275 1.655 1.000 0 assign (resid 50 and name N ) (resid 49 and name C ) 3.301 1.655 1.000 0 assign (resid 52 and name N ) (resid 51 and name C ) -10.979 1.655 1.000 0 !% bad data (untested): !assign (resid 53 and name N ) ! (resid 52 and name C ) -6.660 1.655 1.000 0 assign (resid 54 and name N ) (resid 53 and name C ) -6.337 1.655 1.000 0 assign (resid 55 and name N ) (resid 54 and name C ) -12.278 1.655 1.000 0 assign (resid 58 and name N ) (resid 57 and name C ) -21.089 1.655 1.000 0 assign (resid 59 and name N ) (resid 58 and name C ) -6.834 1.655 1.000 0 !% bad data (untested): !assign (resid 64 and name N ) ! (resid 63 and name C ) 10.209 1.655 1.000 0 !% bad data (untested): !assign (resid 65 and name N ) ! (resid 64 and name C ) -10.424 1.655 1.000 0 !assign (resid 67 and name N ) ! (resid 66 and name C ) 15.694 1.655 1.000 0 assign (resid 70 and name N ) (resid 69 and name C ) -8.836 1.655 1.000 0 assign (resid 71 and name N ) (resid 70 and name C ) -28.857 1.655 1.000 0 !% bad data (untested): !assign (resid 72 and name N ) ! (resid 71 and name C ) 20.195 1.655 1.000 0 assign (resid 74 and name N ) (resid 73 and name C ) -18.052 1.655 1.000 0 assign (resid 75 and name N ) (resid 74 and name C ) -1.456 1.655 1.000 0 assign (resid 76 and name N ) (resid 75 and name C ) 7.661 1.655 1.000 0 assign (resid 77 and name N ) (resid 76 and name C ) -10.193 1.655 1.000 0 assign (resid 78 and name N ) (resid 77 and name C ) -2.548 1.655 1.000 0 !assign (resid 80 and name N ) ! (resid 79 and name C ) 8.778 1.655 1.000 0 !% bad data (untested): !assign (resid 81 and name N ) ! (resid 80 and name C ) -22.321 1.655 1.000 0 !% bad data (untested): !assign (resid 87 and name N ) ! (resid 86 and name C ) -2.507 1.655 1.000 0 !% bad data (untested): !assign (resid 88 and name N ) ! (resid 87 and name C ) 1.828 1.655 1.000 0 !% bad data (untested): !assign (resid 89 and name N ) ! (resid 88 and name C ) -0.273 1.655 1.000 0 !% bad data (untested): !assign (resid 91 and name N ) ! (resid 90 and name C ) -0.116 1.655 1.000 0 !% bad data (untested): !assign (resid 92 and name N ) ! (resid 91 and name C ) -1.167 1.655 1.000 0 !% bad data (untested): !assign (resid 93 and name N ) ! (resid 92 and name C ) 2.035 1.655 1.000 0 !% bad data (untested): !assign (resid 3 and name HN ) ! (resid 2 and name C ) 2.925 0.930 1.000 0 !% bad data (untested): !assign (resid 6 and name HN ) ! (resid 5 and name C ) 0.512 0.930 1.000 0 !% bad data (untested): !assign (resid 7 and name HN ) ! (resid 6 and name C ) -8.238 0.930 1.000 0 assign (resid 8 and name HN ) (resid 7 and name C ) -0.716 0.930 1.000 0 assign (resid 9 and name HN ) (resid 8 and name C ) 10.250 0.930 1.000 0 assign (resid 10 and name HN ) (resid 9 and name C ) -7.102 0.930 1.000 0 assign (resid 12 and name HN ) (resid 11 and name C ) 30.103 0.930 1.000 0 assign (resid 13 and name HN ) (resid 12 and name C ) -6.935 0.930 1.000 0 !% bad data (untested): !assign (resid 15 and name HN ) ! (resid 14 and name C ) -4.035 0.930 1.000 0 assign (resid 16 and name HN ) (resid 15 and name C ) -10.548 0.930 1.000 0 assign (resid 17 and name HN ) (resid 16 and name C ) -23.785 0.930 1.000 0 assign (resid 18 and name HN ) (resid 17 and name C ) 26.285 0.930 1.000 0 !% bad data (untested): !assign (resid 20 and name HN ) ! (resid 19 and name C ) -4.764 0.930 1.000 0 assign (resid 21 and name HN ) (resid 20 and name C ) -20.864 0.930 1.000 0 assign (resid 24 and name HN ) (resid 23 and name C ) -25.491 0.930 1.000 0 assign (resid 25 and name HN ) (resid 24 and name C ) 4.572 0.930 1.000 0 assign (resid 26 and name HN ) (resid 25 and name C ) 14.664 0.930 1.000 0 !assign (resid 28 and name HN ) ! (resid 27 and name C ) -21.692 0.930 1.000 0 !% bad data (untested): !assign (resid 29 and name HN ) ! (resid 28 and name C ) 14.779 0.930 1.000 0 assign (resid 31 and name HN ) (resid 30 and name C ) -12.887 0.930 1.000 0 assign (resid 33 and name HN ) (resid 32 and name C ) -8.176 0.930 1.000 0 assign (resid 34 and name HN ) (resid 33 and name C ) -5.077 0.930 1.000 0 !% bad data (untested): !assign (resid 35 and name HN ) ! (resid 34 and name C ) 24.055 0.930 1.000 0 assign (resid 36 and name HN ) (resid 35 and name C ) 8.780 0.930 1.000 0 assign (resid 39 and name HN ) (resid 38 and name C ) 27.392 0.930 1.000 0 assign (resid 42 and name HN ) (resid 41 and name C ) 20.225 0.930 1.000 0 assign (resid 43 and name HN ) (resid 42 and name C ) 13.733 0.930 1.000 0 assign (resid 45 and name HN ) (resid 44 and name C ) -4.683 0.930 1.000 0 assign (resid 48 and name HN ) (resid 47 and name C ) 13.029 0.930 1.000 0 assign (resid 49 and name HN ) (resid 48 and name C ) -11.423 0.930 1.000 0 assign (resid 50 and name HN ) (resid 49 and name C ) -8.191 0.930 1.000 0 assign (resid 52 and name HN ) (resid 51 and name C ) -12.412 0.930 1.000 0 !% bad data (untested): !assign (resid 53 and name HN ) ! (resid 52 and name C ) 10.809 0.930 1.000 0 assign (resid 54 and name HN ) (resid 53 and name C ) -2.751 0.930 1.000 0 assign (resid 55 and name HN ) (resid 54 and name C ) -11.956 0.930 1.000 0 assign (resid 58 and name HN ) (resid 57 and name C ) -8.659 0.930 1.000 0 assign (resid 59 and name HN ) (resid 58 and name C ) -10.303 0.930 1.000 0 assign (resid 64 and name HN ) (resid 63 and name C ) 28.484 0.930 1.000 0 !% bad data (untested): !assign (resid 65 and name HN ) ! (resid 64 and name C ) -9.757 0.930 1.000 0 !% bad data (untested): !assign (resid 67 and name HN ) ! (resid 66 and name C ) 33.471 0.930 1.000 0 assign (resid 70 and name HN ) (resid 69 and name C ) -9.763 0.930 1.000 0 assign (resid 71 and name HN ) (resid 70 and name C ) -13.895 0.930 1.000 0 !% bad data (untested): !assign (resid 72 and name HN ) ! (resid 71 and name C ) 26.353 0.930 1.000 0 !% bad data (untested): !assign (resid 74 and name HN ) ! (resid 73 and name C ) -17.300 0.930 1.000 0 assign (resid 75 and name HN ) (resid 74 and name C ) 17.157 0.930 1.000 0 assign (resid 76 and name HN ) (resid 75 and name C ) 22.070 0.930 1.000 0 assign (resid 77 and name HN ) (resid 76 and name C ) -14.642 0.930 1.000 0 assign (resid 78 and name HN ) (resid 77 and name C ) -8.253 0.930 1.000 0 !% bad data (untested): !assign (resid 80 and name HN ) ! (resid 79 and name C ) 26.933 0.930 1.000 0 !% bad data (untested): !assign (resid 81 and name HN ) ! (resid 80 and name C ) -4.299 0.930 1.000 0 assign (resid 87 and name HN ) (resid 86 and name C ) -3.933 0.930 1.000 0 assign (resid 88 and name HN ) (resid 87 and name C ) -0.809 0.930 1.000 0 !% bad data (untested): !assign (resid 89 and name HN ) ! (resid 88 and name C ) 0.177 0.930 1.000 0 !% bad data (untested): !assign (resid 91 and name HN ) ! (resid 90 and name C ) 0.769 0.930 1.000 0 !% bad data (untested): !assign (resid 92 and name HN ) ! (resid 91 and name C ) 1.973 0.930 1.000 0 !% bad data (untested): !assign (resid 93 and name HN ) ! (resid 92 and name C ) 2.522 0.930 1.000 0 !% bad data (untested): !assign (resid 2 and name CA ) ! (resid 2 and name C ) 18.385 1.512 1.000 0 !% bad data (untested): !assign (resid 3 and name CA ) ! (resid 3 and name C ) 18.178 1.512 1.000 0 !% bad data (untested): !assign (resid 4 and name CA ) ! (resid 4 and name C ) 9.349 1.512 1.000 0 !assign (resid 5 and name CA ) ! (resid 5 and name C ) 6.431 1.512 1.000 0 !% bad data (untested): !assign (resid 6 and name CA ) ! (resid 6 and name C ) 14.887 1.512 1.000 0 assign (resid 7 and name CA ) (resid 7 and name C ) -14.474 1.512 1.000 0 !% bad data (untested): !assign (resid 8 and name CA ) ! (resid 8 and name C ) -26.650 1.512 1.000 0 assign (resid 9 and name CA ) (resid 9 and name C ) 8.532 1.512 1.000 0 !assign (resid 12 and name CA ) ! (resid 12 and name C ) -30.732 1.512 1.000 0 !% bad data (untested): !assign (resid 13 and name CA ) ! (resid 13 and name C ) 40.519 1.512 1.000 0 assign (resid 14 and name CA ) (resid 14 and name C ) 1.336 1.512 1.000 0 assign (resid 15 and name CA ) (resid 15 and name C ) -14.776 1.512 1.000 0 !% bad data (untested): !assign (resid 16 and name CA ) ! (resid 16 and name C ) 43.069 1.512 1.000 0 !assign (resid 17 and name CA ) ! (resid 17 and name C ) -15.446 1.512 1.000 0 !% bad data (untested): !assign (resid 18 and name CA ) ! (resid 18 and name C ) -31.573 1.512 1.000 0 assign (resid 19 and name CA ) (resid 19 and name C ) 27.532 1.512 1.000 0 assign (resid 20 and name CA ) (resid 20 and name C ) 9.202 1.512 1.000 0 !% bad data (untested): !assign (resid 23 and name CA ) ! (resid 23 and name C ) 48.552 1.512 1.000 0 assign (resid 24 and name CA ) (resid 24 and name C ) -8.678 1.512 1.000 0 !assign (resid 26 and name CA ) ! (resid 26 and name C ) 0.035 1.512 1.000 0 !assign (resid 28 and name CA ) ! (resid 28 and name C ) 4.334 1.512 1.000 0 !assign (resid 30 and name CA ) ! (resid 30 and name C ) 3.855 1.512 1.000 0 !% bad data (untested): !assign (resid 32 and name CA ) ! (resid 32 and name C ) 27.345 1.512 1.000 0 assign (resid 33 and name CA ) (resid 33 and name C ) 23.742 1.512 1.000 0 !assign (resid 34 and name CA ) ! (resid 34 and name C ) -12.473 1.512 1.000 0 !% bad data (untested): !assign (resid 35 and name CA ) ! (resid 35 and name C ) -12.493 1.512 1.000 0 !assign (resid 38 and name CA ) ! (resid 38 and name C ) -7.484 1.512 1.000 0 !% bad data (untested): !assign (resid 40 and name CA ) ! (resid 40 and name C ) 41.900 1.512 1.000 0 assign (resid 41 and name CA ) (resid 41 and name C ) 7.675 1.512 1.000 0 !assign (resid 45 and name CA ) ! (resid 45 and name C ) -12.251 1.512 1.000 0 assign (resid 46 and name CA ) (resid 46 and name C ) 8.799 1.512 1.000 0 !assign (resid 48 and name CA ) ! (resid 48 and name C ) -17.916 1.512 1.000 0 !assign (resid 50 and name CA ) ! (resid 50 and name C ) -15.280 1.512 1.000 0 assign (resid 51 and name CA ) (resid 51 and name C ) -15.124 1.512 1.000 0 assign (resid 52 and name CA ) (resid 52 and name C ) -2.585 1.512 1.000 0 assign (resid 53 and name CA ) (resid 53 and name C ) 0.766 1.512 1.000 0 !assign (resid 55 and name CA ) ! (resid 55 and name C ) 8.920 1.512 1.000 0 assign (resid 56 and name CA ) (resid 56 and name C ) -19.710 1.512 1.000 0 !% bad data (untested): !assign (resid 58 and name CA ) ! (resid 58 and name C ) 49.696 1.512 1.000 0 assign (resid 59 and name CA ) (resid 59 and name C ) -15.507 1.512 1.000 0 assign (resid 60 and name CA ) (resid 60 and name C ) -11.541 1.512 1.000 0 !% bad data (untested): !assign (resid 63 and name CA ) ! (resid 63 and name C ) -29.366 1.512 1.000 0 !% bad data (untested): !assign (resid 66 and name CA ) ! (resid 66 and name C ) -53.838 1.512 1.000 0 !% bad data (untested): !assign (resid 68 and name CA ) ! (resid 68 and name C ) 37.409 1.512 1.000 0 !assign (resid 69 and name CA ) ! (resid 69 and name C ) -25.002 1.512 1.000 0 !% bad data (untested): !assign (resid 70 and name CA ) ! (resid 70 and name C ) 30.938 1.512 1.000 0 !% bad data (untested): !assign (resid 71 and name CA ) ! (resid 71 and name C ) -33.957 1.512 1.000 0 !assign (resid 72 and name CA ) ! (resid 72 and name C ) -6.395 1.512 1.000 0 assign (resid 73 and name CA ) (resid 73 and name C ) 39.763 1.512 1.000 0 assign (resid 74 and name CA ) (resid 74 and name C ) 3.185 1.512 1.000 0 assign (resid 75 and name CA ) (resid 75 and name C ) -29.180 1.512 1.000 0 assign (resid 76 and name CA ) (resid 76 and name C ) -14.801 1.512 1.000 0 !% bad data (untested): !assign (resid 77 and name CA ) ! (resid 77 and name C ) -39.516 1.512 1.000 0 !% bad data (untested): !assign (resid 78 and name CA ) ! (resid 78 and name C ) 42.696 1.512 1.000 0 !assign (resid 80 and name CA ) ! (resid 80 and name C ) -13.572 1.512 1.000 0 !% bad data (untested): !assign (resid 81 and name CA ) ! (resid 81 and name C ) 51.802 1.512 1.000 0 !% bad data (untested): !assign (resid 83 and name CA ) ! (resid 83 and name C ) 3.835 1.512 1.000 0 assign (resid 84 and name CA ) (resid 84 and name C ) 11.228 1.512 1.000 0 assign (resid 85 and name CA ) (resid 85 and name C ) -6.360 1.512 1.000 0 !% bad data (untested): !assign (resid 86 and name CA ) ! (resid 86 and name C ) 4.284 1.512 1.000 0 !assign (resid 87 and name CA ) ! (resid 87 and name C ) 1.703 1.512 1.000 0 !% bad data (untested): !assign (resid 88 and name CA ) ! (resid 88 and name C ) -2.359 1.512 1.000 0 !% bad data (untested): !assign (resid 89 and name CA ) ! (resid 89 and name C ) -2.989 1.512 1.000 0 !% bad data (untested): !assign (resid 90 and name CA ) ! (resid 90 and name C ) -1.084 1.512 1.000 0 !% bad data (untested): !assign (resid 91 and name CA ) ! (resid 91 and name C ) -4.495 1.512 1.000 0 !% bad data (untested): !assign (resid 92 and name CA ) ! (resid 92 and name C ) -2.852 1.512 1.000 0 !% bad data (untested): !assign (resid 93 and name CA ) ! (resid 93 and name C ) -5.095 1.512 1.000 0 !% bad data (untested): !assign (resid 94 and name CA ) ! (resid 94 and name C ) -0.963 1.512 1.000 0 !% bad data (untested): !assign (resid 95 and name CA ) ! (resid 95 and name C ) 1.814 1.512 1.000 0 assign (resid 3 and name CA ) (resid 3 and name HA ) -20.924 1.245 1.000 0 assign (resid 9 and name CA ) (resid 9 and name HA ) -5.978 1.245 1.000 0 assign (resid 11 and name CA ) (resid 11 and name HA ) 9.266 1.245 1.000 0 assign (resid 15 and name CA ) (resid 15 and name HA ) 4.783 1.245 1.000 0 assign (resid 16 and name CA ) (resid 16 and name HA ) 2.092 1.245 1.000 0 assign (resid 17 and name CA ) (resid 17 and name HA ) -10.163 1.245 1.000 0 assign (resid 19 and name CA ) (resid 19 and name HA ) -4.484 1.245 1.000 0 assign (resid 28 and name CA ) (resid 28 and name HA ) -0.897 1.245 1.000 0 assign (resid 30 and name CA ) (resid 30 and name HA ) -23.615 1.245 1.000 0 assign (resid 31 and name CA ) (resid 31 and name HA ) -21.223 1.245 1.000 0 assign (resid 32 and name CA ) (resid 32 and name HA ) 17.936 1.245 1.000 0 assign (resid 37 and name CA ) (resid 37 and name HA ) -17.337 1.245 1.000 0 assign (resid 40 and name CA ) (resid 40 and name HA ) -14.946 1.245 1.000 0 assign (resid 41 and name CA ) (resid 41 and name HA ) -8.968 1.245 1.000 0 assign (resid 42 and name CA ) (resid 42 and name HA ) 25.707 1.245 1.000 0 assign (resid 48 and name CA ) (resid 48 and name HA ) -15.544 1.245 1.000 0 assign (resid 55 and name CA ) (resid 55 and name HA ) -12.853 1.245 1.000 0 assign (resid 60 and name CA ) (resid 60 and name HA ) 33.479 1.245 1.000 0 assign (resid 62 and name CA ) (resid 62 and name HA ) -12.555 1.245 1.000 0 assign (resid 64 and name CA ) (resid 64 and name HA ) 40.055 1.245 1.000 0 assign (resid 68 and name CA ) (resid 68 and name HA ) -23.615 1.245 1.000 0 assign (resid 76 and name CA ) (resid 76 and name HA ) 4.484 1.245 1.000 0 assign (resid 83 and name CA ) (resid 83 and name HA ) -2.092 1.245 1.000 0 assign (resid 84 and name CA ) (resid 84 and name HA ) 1.196 1.245 1.000 0 assign (resid 85 and name CA ) (resid 85 and name HA ) -1.196 1.245 1.000 0 assign (resid 88 and name CA ) (resid 88 and name HA ) 5.680 1.245 1.000 0 assign (resid 91 and name CA ) (resid 91 and name HA ) 3.288 1.245 1.000 0 assign (resid 94 and name CA ) (resid 94 and name HA ) 2.989 1.245 1.000 0 assign (resid 96 and name CA ) (resid 96 and name HA ) -1.794 1.245 1.000 0
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